(2S)-1-(1,3-dioxan-2-yl)propan-2-ol

C7H14O3 — CID 14290520

IUPAC(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
SMILESC[C@H](O)CC1OCCCO1
InChIInChI=1S/C7H14O3/c1-6(8)5-7-9-3-2-4-10-7/h6-8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZMWQBLCFFNVLGR-LURJTMIESA-N
MW146.19 g/mol
LogP0.52
Rot. Bonds2

About (2S)-1-(1,3-dioxan-2-yl)propan-2-ol

(2S)-1-(1,3-dioxan-2-yl)propan-2-ol (PubChem CID 14290520) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-1-(1,3-dioxan-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
PubChem CID14290520
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
SMILESC[C@H](O)CC1OCCCO1
InChIInChI=1S/C7H14O3/c1-6(8)5-7-9-3-2-4-10-7/h6-8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZMWQBLCFFNVLGR-LURJTMIESA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
CID 157085874
1-(1,3-dioxan-2-yl)propan-2-amine
CID 82111184
1-(1,3-dioxan-2-yl)butan-2-ol
CID 130148324
(3R,4S)-7-(1,3-dioxan-2-yl)-6-methylhept-1-ene-3,4-diol
CID 101487132
3-(1,3-dioxan-2-yl)propane-1,1-diol
CID 144545120
3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane
CID 142532435
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane
CID 20634644
4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine
CID 70442959
2-(2,2-dimethoxyethyl)-1,3-dioxolane
CID 14470922
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,3-dioxan-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-(1,3-dioxan-2-yl)propan-2-ol (CID 14290520) is (2S)-1-(1,3-dioxan-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(1,3-dioxan-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(1,3-dioxan-2-yl)propan-2-ol is C[C@H](O)CC1OCCCO1.
What is the InChIKey of (2S)-1-(1,3-dioxan-2-yl)propan-2-ol?
The InChIKey is ZMWQBLCFFNVLGR-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O3/c1-6(8)5-7-9-3-2-4-10-7/h6-8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-(1,3-dioxan-2-yl)propan-2-ol?
(2S)-1-(1,3-dioxan-2-yl)propan-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,3-dioxan-2-yl)propan-2-ol is sourced from PubChem (CID 14290520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).